N,N-dimethyl-2-propan-2-ylsulfanylethynamine

C7H13NS — CID 134921069

IUPACN,N-dimethyl-2-propan-2-ylsulfanylethynamine
SMILESCC(C)SC#CN(C)C
InChIInChI=1S/C7H13NS/c1-7(2)9-6-5-8(3)4/h7H,1-4H3
InChIKeyWJTSJAGVNVWJDX-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.61
Rot. Bonds1

About N,N-dimethyl-2-propan-2-ylsulfanylethynamine

N,N-dimethyl-2-propan-2-ylsulfanylethynamine (PubChem CID 134921069) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is N,N-dimethyl-2-propan-2-ylsulfanylethynamine.

Molecular Properties

Compound NameN,N-dimethyl-2-propan-2-ylsulfanylethynamine
PubChem CID134921069
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC NameN,N-dimethyl-2-propan-2-ylsulfanylethynamine
SMILESCC(C)SC#CN(C)C
InChIInChI=1S/C7H13NS/c1-7(2)9-6-5-8(3)4/h7H,1-4H3
InChIKeyWJTSJAGVNVWJDX-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-propan-2-ylsulfanylethynamine?
The IUPAC name of N,N-dimethyl-2-propan-2-ylsulfanylethynamine (CID 134921069) is N,N-dimethyl-2-propan-2-ylsulfanylethynamine.
What is the SMILES notation for N,N-dimethyl-2-propan-2-ylsulfanylethynamine?
The canonical SMILES for N,N-dimethyl-2-propan-2-ylsulfanylethynamine is CC(C)SC#CN(C)C.
What is the InChIKey of N,N-dimethyl-2-propan-2-ylsulfanylethynamine?
The InChIKey is WJTSJAGVNVWJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-7(2)9-6-5-8(3)4/h7H,1-4H3.
What are the key properties of N,N-dimethyl-2-propan-2-ylsulfanylethynamine?
N,N-dimethyl-2-propan-2-ylsulfanylethynamine has a molecular weight of 143.25 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-propan-2-ylsulfanylethynamine is sourced from PubChem (CID 134921069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).